Cyclo(3-aminoalanylprolylvalylornithylleucyl-3-aminoalanylprolylvalylornithylleucyl)
[CAS# 87647-91-4]

Identification

• Name: Cyclo(3-aminoalanylprolylvalylornithylleucyl-3-aminoalanylprolylvalylornithylleucyl)
• Synonyms: (4,4'-Diaminopropionic acid)gramicidin S; 4,4'-Dpa-gramicidin S
• Molecular Formula: C₄₈H₈₆N₁₄O₁₀
• Molecular Weight: 1019.28
• CAS Registry Number: 87647-91-4
• SMILES: O=C2N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC2CN)CC(C)C)CCCN)C(C)C)CCC3)CN)CC(C)C)CCCN)C(C)C
• InChI: 1S/C48H86N14O10/c1-25(2)21-31-41(65)57-33(23-51)47(71)61-19-11-15-35(61)43(67)60-38(28(7)8)46(70)54-30(14-10-18-50)40(64)56-32(22-26(3)4)42(66)58-34(24-52)48(72)62-20-12-16-36(62)44(68)59-37(27(5)6)45(69)53-29(13-9-17-49)39(63)55-31/h25-38H,9-24,49-52H2,1-8H3,(H,53,69)(H,54,70)(H,55,63)(H,56,64)(H,57,65)(H,58,66)(H,59,68)(H,60,67)
• InChIKey: IXGZZCOPHBFCLM-UHFFFAOYSA-N

Properties

• Density: 1.256g/cm³ (Cal.)
• Boiling point: 1367.018°C at 760 mmHg (Cal.)
• Flash point: 780.544°C (Cal.)